MMsINC Database Search


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MMsINC code: MMs00646372

Type: Neutral
Formula: C₂₃H₁₅FO₄

SMILES:

Fc1ccccc1C(Oc1ccc2c(OC(=O)C=C2c2ccccc2)c1C)=O

InChI:

InChI=1/C23H15FO4/c1-14-20(27-23(26)17-9-5-6-10-19(17)24)12-11-16-18(13-21(25)28-22(14)16)15-7-3-2-4-8-15/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.82 kcal/mol

Physical Properties
Molecular Weight: 374.367 g/mol	logS: -7.118	SlogP: 4.52131	Reactive groups: 0

Topological Properties
Globularity: 0.0653703	Sterimol/B1: 3.03906	Sterimol/B2: 3.49165	Sterimol/B3: 4.61836
Sterimol/B4: 7.24545	Sterimol/L: 17.8668

Surface and Volume Properties
Accessible surface: 613.747	Positive charged surface: 322.681	Negative charged surface: 291.066	Volume: 343.5
Hydrophobic surface: 532.818	Hydrophilic surface: 80.929

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.